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213203-65-7 | 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene
CAS No: 213203-65-7 Catalog No: AG003JFO MDL No:MFCD00236289
Product Description
Catalog Number:
AG003JFO
Chemical Name:
4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene
CAS Number:
213203-65-7
Molecular Formula:
C8H5BrF4
Molecular Weight:
257.0229
MDL Number:
MFCD00236289
IUPAC Name:
4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5BrF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
InChI Key:
MOVSRIIBGRAUAF-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)F)C(F)(F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.026g/mol
Monoisotopic Mass:
255.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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